| Compound | Tagitinin C |
| NPACT-Id | NPACT00966 |
| IUPAC | [(7Z,10E)-6-hydroxy-6,10-dimethyl-3-methylidene-2,9-dioxo-3a,4,5,11a-tetrahydrocyclodeca[b]furan-4-yl] 2-methylpropanoate |
| Synonyms | - |
| PubChem Id | 5358948 |
| Class | Terpenoids |
| In-vitro anticancer activity | 2 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | birc5a | All | |
| Properties | Physical Elemental Topological |
| InChi Key | DUQSSEQKLJQACA-BQGCWICQSA-N |
| InChi | 1S/C19H24O6/c1-10(2)17(21)25-15-9-19(5,23)7-6-13(20)11(3)8-14-16(15)12(4)18(22)24-14/h6-8,10,14-16,23H,4,9H2,1-3,5H3/b7-6-,11-8+ |
| SMILES | O1[C@H]2[C@H]([C@H](OC(=O)C(C)C)C[C@@](O)(C)C=CC(=O)C(=C2)C)C(=C)C1=O |
|
SMART | [H]O[C@@]1(C([H])=C([H])/C(=O)/C(=C([H])/[C@@]2([H])OC(=O)C(=C(/[H])[H])[C@@]2([H])[C@]([H])(OC(=O)[C@]([H])(C([H])([H])[H])C([H])([H])[H])C1([H])[H])C([H])([H])[H])C([H])([H])[H] |
| CAS No. | 59979-61-2 |
|
Structure
Download | 
|
| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C012565 |
| HIT | - |
| NCI-60 GI50 data | - |
| Suppliers | ABI Chem, |
| Drug-Likeliness Filters | Lipinski's rule of five | Yes |
| Ghose filter | Yes |
| Veber filter | Yes |
| Muegge Filter | Yes |
| Similarity Search | Human metabolite database | FDA approved drugs |